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用于图分类的半监督图神经网络

Semisupervised Graph Neural Networks for Graph Classification.

作者信息

Xie Yu, Liang Yanfeng, Gong Maoguo, Qin A K, Ong Yew-Soon, He Tiantian

出版信息

IEEE Trans Cybern. 2023 Oct;53(10):6222-6235. doi: 10.1109/TCYB.2022.3164696. Epub 2023 Sep 15.

Abstract

Graph classification aims to predict the label associated with a graph and is an important graph analytic task with widespread applications. Recently, graph neural networks (GNNs) have achieved state-of-the-art results on purely supervised graph classification by virtue of the powerful representation ability of neural networks. However, almost all of them ignore the fact that graph classification usually lacks reasonably sufficient labeled data in practical scenarios due to the inherent labeling difficulty caused by the high complexity of graph data. The existing semisupervised GNNs typically focus on the task of node classification and are incapable to deal with graph classification. To tackle the challenging but practically useful scenario, we propose a novel and general semisupervised GNN framework for graph classification, which takes full advantage of a slight amount of labeled graphs and abundant unlabeled graph data. In our framework, we train two GNNs as complementary views for collaboratively learning high-quality classifiers using both labeled and unlabeled graphs. To further exploit the view itself, we constantly select pseudo-labeled graph examples with high confidence from its own view for enlarging the labeled graph dataset and enhancing predictions on graphs. Furthermore, the proposed framework is investigated on two specific implementation regimes with a few labeled graphs and the extremely few labeled graphs, respectively. Extensive experimental results demonstrate the effectiveness of our proposed semisupervised GNN framework for graph classification on several benchmark datasets.

摘要

图分类旨在预测与图相关联的标签,是一项具有广泛应用的重要图分析任务。最近,图神经网络(GNN)凭借神经网络强大的表示能力,在纯监督图分类方面取得了领先成果。然而,几乎所有这些方法都忽略了一个事实,即由于图数据的高复杂性导致的固有标注困难,在实际场景中图分类通常缺乏足够合理的标注数据。现有的半监督GNN通常专注于节点分类任务,无法处理图分类。为了解决这一具有挑战性但实际有用的场景,我们提出了一种新颖且通用的用于图分类的半监督GNN框架,该框架充分利用少量的标注图和大量未标注的图数据。在我们的框架中,我们训练两个GNN作为互补视图,以使用标注图和未标注图协同学习高质量的分类器。为了进一步利用视图本身,我们不断从其自身视图中选择具有高置信度的伪标注图示例,以扩大标注图数据集并增强对图的预测。此外,分别在有少量标注图和极少标注图的两种特定实现方式下对所提出的框架进行了研究。大量实验结果证明了我们提出的用于图分类的半监督GNN框架在几个基准数据集上的有效性。

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